4-amino-3-[(2-methylpropan-2-yl)oxy]butanoic acid

C8H17NO3 — CID 151760205

IUPAC4-amino-3-[(2-methylpropan-2-yl)oxy]butanoic acid
SMILESCC(C)(C)OC(CN)CC(=O)O
InChIInChI=1S/C8H17NO3/c1-8(2,3)12-6(5-9)4-7(10)11/h6H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyRQJYMOYTNWVDHT-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.60
Rot. Bonds4

About 4-amino-3-[(2-methylpropan-2-yl)oxy]butanoic acid

4-amino-3-[(2-methylpropan-2-yl)oxy]butanoic acid (PubChem CID 151760205) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 4-amino-3-[(2-methylpropan-2-yl)oxy]butanoic acid.

Molecular Properties

Compound Name4-amino-3-[(2-methylpropan-2-yl)oxy]butanoic acid
PubChem CID151760205
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name4-amino-3-[(2-methylpropan-2-yl)oxy]butanoic acid
SMILESCC(C)(C)OC(CN)CC(=O)O
InChIInChI=1S/C8H17NO3/c1-8(2,3)12-6(5-9)4-7(10)11/h6H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyRQJYMOYTNWVDHT-UHFFFAOYSA-N
XLogP0.60
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-2-amino-3-(tert-butoxy)butanoic acid
CID 6951357
H-Thr-OtBu HCl
CID 44629865
tert-Butyl threoninate--hydrogen chloride (1/1)
CID 53434822
Threonine tert-butyl ester
CID 194239
4-Amino-3-methoxybutanoic acid hydrochloride
CID 75511283
2-Amino-3-(tert-butoxy)butanoic acid
CID 4985687
tert-butyl (2S,3S)-2-amino-3-hydroxybutanoate
CID 6941811
O-t-butyl-l-threo-nine
CID 13192008
ethyl (3R)-4-amino-3-hydroxybutanoate
CID 23630754
Tert-butyl 2-amino-3-hydroxybutanoate
CID 3404175
(2S,3R)-tert-Butyl 2-amino-3-(tert-butoxy)butanoate acetate
CID 16211513
4-Amino-3-methoxybutanoic acid
CID 22719429

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(2-methylpropan-2-yl)oxy]butanoic acid?
The IUPAC name of 4-amino-3-[(2-methylpropan-2-yl)oxy]butanoic acid (CID 151760205) is 4-amino-3-[(2-methylpropan-2-yl)oxy]butanoic acid.
What is the SMILES notation for 4-amino-3-[(2-methylpropan-2-yl)oxy]butanoic acid?
The canonical SMILES for 4-amino-3-[(2-methylpropan-2-yl)oxy]butanoic acid is CC(C)(C)OC(CN)CC(=O)O.
What is the InChIKey of 4-amino-3-[(2-methylpropan-2-yl)oxy]butanoic acid?
The InChIKey is RQJYMOYTNWVDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-8(2,3)12-6(5-9)4-7(10)11/h6H,4-5,9H2,1-3H3,(H,10,11).
What are the key properties of 4-amino-3-[(2-methylpropan-2-yl)oxy]butanoic acid?
4-amino-3-[(2-methylpropan-2-yl)oxy]butanoic acid has a molecular weight of 175.23 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(2-methylpropan-2-yl)oxy]butanoic acid is sourced from PubChem (CID 151760205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).